SCHEMBL4203249

SCHEMBL4203249

CCCc1nnnn1-c1ccccc1OCC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 6/20 0.50
KCNN4 O15554 3/20 0.49
POU5F1 Q01860 1/20 0.48
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
KMT2A Q03164 1/20 0.47
CACNA2D1 P54289 1/20 0.46
P2RX7 Q99572 1/20 0.44
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD11B1 P28845 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NTRK1 P04629 1/20 0.41
NTRK2 Q16620 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4198846 0.90 ALDH1A1 (0.49) MAPK1ALDH1A1KCNN4POU5F1TSHR
SCHEMBL4212133 0.89 MAPK1 (0.44) MAPK1ALDH1A1KCNN4POU5F1TSHR
SCHEMBL4202154 0.88 MAPK1 (0.56) MAPK1ALDH1A1KCNN4POU5F1TSHR
SCHEMBL4207437 0.87 KCNN4 (0.55) ALDH1A1KCNN4TSHRKMT2ALMNA
SCHEMBL4203490 0.87 ALDH1A1 (0.44) MAPK1ALDH1A1KCNN4POU5F1TSHR
SCHEMBL4216094 0.83 KCNN4 (0.47) MAPK1ALDH1A1KCNN4P2RX7HSD11B1
SCHEMBL4213885 0.83 HSD11B1 (0.41) MAPK1ALDH1A1KCNN4POU5F1TSHR
SCHEMBL6049029 0.81 KCNN4 (0.42) MAPK1ALDH1A1KCNN4POU5F1TSHR
SCHEMBL4212131 0.81 KCNN4 (0.41) MAPK1ALDH1A1KCNN4POU5F1TSHR
SCHEMBL4215375 0.81 MAPK1 (0.57) MAPK1ALDH1A1KCNN4POU5F1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579480-B2 Alkoxy-(tetrazol-1-yl)benzaldehyde compound and process for producing the same TOYO KASEI KOGYO COMPANY LIMITED (JP) 2009-08-25 US disclosed
US-20070060630-A1 Alkoxy-(tetrazol-1-yl)benzaldehyde compound and process for producing the same TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-03-15 US disclosed
EP-1650198-A1 ALKOXYTETRAZOL-1-YLBENZALDEHYDE COMPOUND AND PROCESS FOR PRODUCING THE SAME Toyo Kasei Kogyo Company Limited (JP) 2006-04-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070060630-A1 Alkoxy-(tetrazol-1-yl)benzaldehyde compound and process for producing the same ALDH7A1, NAT1, ARSA MAPK1 1725/4885ALDH1A1 4/4885KCNN4 3193/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.